2-[[1-(naphthalen-2-ylmethyl)-1-thieno[3,2-c]pyridin-4-yl-piperidin-1-ium-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-(naphthalen-2-ylmethyl)-1-thieno[3,2-c]pyridin-4-yl-piperidin-1-ium-4-yl]amino]ethanoic acid Openeye Name: 2-[[1-(2-naphthylmethyl)-1-thieno[3,2-c]pyridin-4-yl-piperidin-1-ium-4-yl]amino]acetic acid CAS Name: 2-[[1-(2-naphthalenylmethyl)-1-(4-thieno[3,2-c]pyridinyl)-4-piperidin-1-iumyl]amino]acetic acid IUPAC Name: 2-[[1-(naphthalen-2-ylmethyl)-1-thieno[3,2-c]pyridin-4-ylpiperidin-1-ium-4-yl]amino]acetic acid Traditional Name: 2-[[1-(2-naphthylmethyl)-1-thieno[3,2-c]pyridin-4-yl-piperidin-1-ium-4-yl]amino]acetic acid Formula: C25H26N3O2S+ MolecularWeight: 432.55784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1NCC(=O)O)(CC2=CC3=CC=CC=C3C=C2)C4=NC=CC5=C4C=CS5

Isomeric SMILES

C1C[N+](CCC1NCC(=O)O)(CC2=CC3=CC=CC=C3C=C2)C4=NC=CC5=C4C=CS5

InChI

InChI=1S/C25H25N3O2S/c29-24(30)16-27-21-8-12-28(13-9-21,25-22-10-14-31-23(22)7-11-26-25)17-18-5-6-19-3-1-2-4-20(19)15-18/h1-7,10-11,14-15,21,27H,8-9,12-13,16-17H2/p+1